SCHEMBL4468327

SCHEMBL4468327

COc1ccc(C(C)(C)C)cc1N(CN(C)C)C(=O)c1ccc(C)c(-n2cc(C(=O)O)nn2)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.35
BRAF P15056 5/20 0.34
ERAP1 Q9NZ08 2/20 0.33
RAD52 P43351 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4508137 0.78 MEN1 (0.50) NR1I2BRAF
SCHEMBL4508141 0.76 ESRRA (0.38) BRAF
SCHEMBL4559071 0.75 BRAF (0.35) BRAF
SCHEMBL4465334 0.75 NR1I2 (0.35) NR1I2BRAF
SCHEMBL4478022 0.74 RXRA (0.37) NR1I2BRAF
SCHEMBL4466806 0.74 BRAF (0.41) BRAF
SCHEMBL1404770 0.73 GPBAR1 (0.36) BRAF
SCHEMBL4501468 0.73 BRAF (0.34) NR1I2BRAF
SCHEMBL4022025 0.72 NR1H4 (0.46) NR1I2
SCHEMBL4462231 0.72 BRAF (0.37) BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US claimed